orbital_charges     :real:2:4,17
  0.121474845669283E+001  0.109930134094426E+001  0.959485504441615E+000
  0.845781049285097E+000  0.134217889579784E+001  0.142662664840170E+001
  0.106135576578617E+001  0.105373382131806E+001  0.118198032428974E+001
  0.100521177619200E+001  0.867222384751771E+000  0.908678711210048E+000
  0.137344042488463E+001  0.140159819971517E+001  0.115873891643526E+001
  0.107865072540313E+001  0.120732335561697E+001  0.107495702609555E+001
  0.862712554855446E+000  0.948449710117325E+000  0.126095841033502E+001
  0.103817217031265E+001  0.986269447649887E+000  0.896805654095282E+000
  0.708248230697070E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.814522762965279E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.835969431319754E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.831319310504331E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.887153739575193E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.880619465606276E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.869783466068499E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.182236707417506E+001  0.174863551893337E+001
  0.170832424259241E+001  0.146688815866163E+001  0.114807682283860E+001
  0.925361255649472E+000  0.844922638156736E+000  0.843941842809730E+000
  0.179357175685737E+001  0.162569500125235E+001  0.128786830144673E+001
  0.195250942686235E+001  0.181623828037293E+001  0.170021370182624E+001
  0.179831426278147E+001  0.143507403341970E+001
forces              :real:2:3,17
 -0.269406626174918E-001 -0.567939789965031E-005 -0.244000164838487E-002
 -0.199939462437902E-002 -0.135541684465139E-003 -0.124468946214350E-001
 -0.948493274845777E-002  0.966047972999144E-005 -0.559072708043046E-002
 -0.530157658224729E-002  0.588485129000968E-006 -0.573115721111060E-001
  0.280833335527661E-002  0.813541388904351E-005  0.193044565002679E-001
  0.215665318047948E-001  0.777185074365724E-003  0.923717747894216E-002
  0.163963258214761E-001 -0.424848721248385E-005  0.336650463474190E-001
 -0.817256158394547E-002 -0.124497160169809E-004  0.496101031853885E-002
  0.689842411175186E-002  0.200913670417004E-005 -0.110489152641570E-002
  0.191672602035069E-002 -0.217023240707984E-005 -0.661936732643598E-002
  0.646958336676117E-003 -0.144273319927598E-003 -0.140113604354661E-002
 -0.116958308484091E-002 -0.126508251196020E-002  0.981865626263841E-003
 -0.105494099497853E-002  0.768254532129350E-003  0.904448622990432E-003
 -0.319284802142511E-001  0.437054717273682E-005  0.366688339770547E-001
  0.119157684125712E-001 -0.894470784890273E-005 -0.219443360460390E-001
 -0.470368151314309E-002 -0.435588464274005E-005 -0.148956999839730E-001
  0.286067461008375E-001  0.125422732607422E-004  0.180317875162900E-001
mermin_energy       :real:0:
 -0.266154718840850E+002
end_coords          :real:2:3,17
  0.237077463623157E+001  0.853589229041100E-001 -0.421767943390930E+000
 -0.572964919737130E-001  0.851510530453663E-001  0.598457323323059E+000
  0.141956216262049E+000  0.849809777063942E-001  0.314764099013637E+001
  0.258866004271472E+001  0.850376694860515E-001  0.376057361453194E+001
  0.401808657499559E+001  0.853022311244526E-001  0.157965974837289E+001
 -0.244940613461634E+001  0.851699503052521E-001 -0.821596168054458E+000
  0.318900709202636E+001  0.850376694860515E-001  0.558667252907541E+001
 -0.136608291714370E+001  0.848297996273079E-001  0.453010783160105E+001
  0.606044573167204E+001  0.854156146837673E-001  0.162231086393512E+001
  0.269654449940269E+001  0.855289982430821E-001 -0.243850241566224E+001
 -0.202340520501100E+001  0.853211283843384E-001 -0.284269590735939E+001
 -0.354722355042138E+001 -0.160692849438809E+001 -0.356081068027926E+000
 -0.354731803672081E+001  0.177713611417939E+001 -0.355854300909297E+000
  0.397677716488526E+001  0.852077448250236E-001  0.843602027191460E+001
  0.188978268035858E+001  0.853589229041100E-001  0.977797138818415E+001
  0.201357862987039E+001  0.861904023390847E-001  0.121161482511127E+002
 -0.221645961200422E+000  0.846408270284500E-001  0.859702492614152E+001
